5 papers
Signatures of Hundness in Kagome Metals
Li Huang, Haiyan Lu
By means of the density functional theory in combination with the dynamical mean-field theory, we tried to examine the electronic structure of hexagonal FeGe, in which the Fe atoms…
Reexaming the ground state and magnetic properties of curium dioxide
Li Huang, Ruofan Chen, Haiyan Lu
The ground state electronic structure and magnetic behaviors of curium dioxide (CmO) are controversial. In general, the formal valence of Cm ions in CmO should be tetra…
Emergence of quasiparticle multiplets in curium
Li Huang, Ruofan Chen, Haiyan Lu
A combination of the density functional theory and the single-site dynamical mean-field theory is employed to study the electronic structures of various allotropes of elemental cur…
Nature of the 5 electronic structure of plutonium
Li Huang, Haiyan Lu
Plutonium (Pu), in which the 5 valence electrons always wander the boundary between localized and itinerant states, exhibits quite complex crystal structures and unprecedentedly…
Unraveling the 4f electronic structures of cerium monopnictides
Haiyan Lu, Li Huang
In order to unveil the 4f electronic structures in cerium monopnictides (CeX, where X = N, P, As, Sb, and Bi), we employed a state-of-the-art first-principles many-body approach, n…